Self-locking in Collapsed Carbon Nanotube Stacks via Molecular Dynamics

TL;DR

This paper explores the use of molecular dynamics simulations to design and analyze self-locking mechanisms in collapsed carbon nanotube structures, aiming to enhance stability and energy absorption at the nanoscale.

Contribution

It introduces a novel nanoscale self-locking design using collapsed CNTs and demonstrates its potential through molecular dynamics simulations.

Findings

Stable configurations achieved in simulated CNT systems

Enhanced energy absorption properties observed

Potential applications in advanced nanomaterials

Abstract

Self-locking structures are often studied in macroscopic energy absorbers, but the concept of self-locking can also be effectively applied at the nanoscale. In particular, we can engineer self-locking mechanisms at the molecular level through careful shape selection or chemical functionalisation. The present work focuses on the use of collapsed carbon nanotubes (CNTs) as self-locking elements. We start by inserting a thin CNT into each of the two lobes of a collapsed larger CNT. We aim to create a system that utilises the unique properties of CNTs to achieve stable configurations and enhanced energy absorption capabilities at the nanoscale. We have used molecular dynamics simulations to investigate the mechanical properties of periodic systems realised with such units. This approach extends the application of self-locking mechanisms and opens up new possibilities for the development of advanced materials and devices.